홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /반응

Potassium Iodide → {[(cyclohexyloxy)carbonyl]oxy}methyl (2R)-3-[1-amino-7-(trifluoromethoxy)isoquinolin-6-yl]-2-[(3S)-2-oxo-3-({[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]sulfonyl}amino)pyrrolidin-1-yl]propanoate

HRID 1746848
노트
인쇄 미리보기

반응식

HRID 1746848 반응식
Cl.[NH2:2][C:3]1[C:12]2[C:7](=[CH:8][C:9]([CH2:18][C@@H:19]([N:23]3[CH2:27][CH2:26][C@H:25]([NH:28][S:29]([C:32]4[S:36][C:35]([N:37]5[CH2:41][CH2:40][CH2:39][CH2:38]5)=[N:34][CH:33]=4)(=[O:31])=[O:30])[C:24]3=[O:42])[C:20]([OH:22])=[O:21])=[C:10]([O:13][C:14]([F:17])([F:16])[F:15])[CH:11]=2)[CH:6]=[CH:5][N:4]=1.C(=O)([O-])[O-].[K+].[K+].[C:49](=[O:60])([O:53][CH:54]1[CH2:59][CH2:58][CH2:57][CH2:56][CH2:55]1)[O:50][CH2:51]Cl.[I-].[K+]>CN(C=O)C.O>[NH2:2][C:3]1[C:12]2[C:7](=[CH:8][C:9]([CH2:18][C@@H:19]([N:23]3[CH2:27][CH2:26][C@H:25]([NH:28][S:29]([C:32]4[S:36][C:35]([N:37]5[CH2:41][CH2:40][CH2:39][CH2:38]5)=[N:34][CH:33]=4)(=[O:31])=[O:30])[C:24]3=[O:42])[C:20]([O:22][CH2:51][O:50][C:49]([O:53][CH:54]3[CH2:59][CH2:58][CH2:57][CH2:56][CH2:55]3)=[O:60])=[O:21])=[C:10]([O:13][C:14]([F:15])([F:17])[F:16])[CH:11]=2)[CH:6]=[CH:5][N:4]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

7

반응물 4

HCID 4875Potassium IodideHCID 11430Potassium CarbonateHCID 13603586Chloromethyl cyclohexyl carbonateHCID 71584487(R)-3-(1-Amino-7-trifluoromethoxy-isoquinolin-6-yl)-2-[(S)-2-oxo-3-(2-pyrrolidin-1-yl-thiazole-5-sulfonylamino)-pyrrolidin-1-yl]-propionic acid hydrochloride2회

생성물 1

HCID 89644321
{[(cyclohexyloxy)carbonyl]oxy}methyl (2R)-3-[1-amino-7-(trifluoromethoxy)isoquinolin-6-yl]-2-[(3S)-2-oxo-3-({[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]sulfonyl}amino)pyrrolidin-1-yl]propanoate

시약·촉매·용매 2

HCID 962Water용매HCID 6228Dimethylformamide용매

실험 절차

To a solution of (2R)-3-[1-amino-7-(trifluoromethoxy)isoquinolin-6-yl]-2-[(3S)-2-oxo-3-({[2-(pyrrolidin-1-yl)-1,3-thiazol-5-yl]sulfonyl}amino)pyrrolidin-1-yl]propanoic acid hydrochloride (compound of example 4) (0.5 g, 0.73 mmol) in anhydrous DMF (3 ml) were added potassium carbonate (0.3 g, 2.2 mmol) and chloromethyl cyclohexyl carbonate (0.21 g, 1.1 mmol), followed by potassium iodide (12 mg, 0.07 mmol). The reaction mixture was stirred at room temperature under nitrogen for 12 hours, and then was poured onto cold water, the resulting precipitate was filtered of, washed with water and dried under P2O5.

후처리

  1. filtrationthe resulting precipitate was filtered of,
  2. washwashed with water
  3. customdried under P2O5

출처 및 근거

ORD 기록
ord-dbf50bf2425e4fb193a2b250ee81a6fe
출처 데이터셋
uspto-grants-2015_10
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09150544B2

반응 노트

불러오는 중…

이 페이지에서참가 물질실험 절차후처리출처 및 근거반응 노트